N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

C20H21N3O5 — CID 17478588

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O5/c1-12(16-10-13(27-2)8-9-17(16)28-3)21-18(24)11-23-20(26)15-7-5-4-6-14(15)19(25)22-23/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCOGHLRVJBMSLPR-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.58
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (PubChem CID 17478588) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
PubChem CID17478588
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1
InChIInChI=1S/C20H21N3O5/c1-12(16-10-13(27-2)8-9-17(16)28-3)21-18(24)11-23-20(26)15-7-5-4-6-14(15)19(25)22-23/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCOGHLRVJBMSLPR-UHFFFAOYSA-N
XLogP1.58
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51212481
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017569
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 26442487
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 41312473
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 40711261
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124907001
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide (CID 17478588) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is COc1ccc(OC)c(C(C)NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
The InChIKey is COGHLRVJBMSLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12(16-10-13(27-2)8-9-17(16)28-3)21-18(24)11-23-20(26)15-7-5-4-6-14(15)19(25)22-23/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide has a molecular weight of 383.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide is sourced from PubChem (CID 17478588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).